SCHEMBL12058207

SCHEMBL12058207

CCc1cc2cc(-c3c(Cl)nc(N)nc3N[C@H]3CC[C@@H](CO)C3)oc2c(C)n1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 3/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ SYK P43405 4/20 0.30
▸ PDCD1 Q15116 1/20 0.30
▸ CD274 Q9NZQ7 1/20 0.30
▸ PTGES O14684 1/20 0.30
▸ NR1I2 O75469 1/20 0.30
▸ ALB P02768 1/20 0.30
▸ PDE4D Q08499 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12058245 0.94 IRAK4 (0.33) IRAK4PTPN11SYKPDCD1CD274
SCHEMBL12057979 0.90 PTPN11 (0.35) IRAK4PTPN11SYKPTGESNR1I2
SCHEMBL13493429 0.85 IRAK4 (0.35) IRAK4
SCHEMBL12057659 0.82 PTPN11 (0.31) PTPN11PDCD1CD274
SCHEMBL12057718 0.82 JAK2 (0.38) IRAK4SYKPTGES
SCHEMBL12037819 0.82 IRAK4 (0.51) IRAK4
SCHEMBL12058062 0.79 JAK1 (0.34) IRAK4PTPN11SYKPTGESNR1I2
SCHEMBL13493443 0.78 IRAK4 (0.35) IRAK4
SCHEMBL12057672 0.78 PTGES (0.39) IRAK4SYKPTGES
SCHEMBL12057678 0.77 JAK1 (0.32) IRAK4SYK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110318305-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2011-12-29 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110318305-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS PNP, XDH, PNPO IRAK4 706/4885PTPN11 368/4885SYK 1033/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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